Glycoside
GD134422
Name:
OdontosideFormula:
C20H22O11Smiles:
O=C(OCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1ccc(O)c(O)c1Aglycone:
O=C(OCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD52534
Formula: C14H12O6
Smiles:
O=C(OCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
